(±)-α-Terpinyl acetate

C12H20O2CAS 80-26-2196.29 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C12H20O2
Molar mass
196.29 g/mol
Exact mass
196.1463 Da
Density
0.967 g/mL (at 20 °C)
Melting point
112–113.5 °C
Boiling point
104–106 °C (at 12 Torr)
logP
3.07Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Environmental Hazard (GHS09)

Aggregated from 1,929 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
80-26-2
SMILES
CC(=O)OC(C)(C)C1CC=C(C)CC1
InChIKey
IGODOXYLBBXFDW-UHFFFAOYSA-N
InChI
InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, 1-acetate
  • p-Menth-1-en-8-ol, acetate
  • 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, acetate
  • α-Terpineol acetate
  • α-Terpinyl acetate
  • Terpinyl acetate
  • 2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate
  • (±)-α-Terpineol acetate
  • 2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl acetate
  • Alpha-Terpinyl acetate

Work with (±)-α-Terpinyl acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(-)-α-Terpineol10482-56-154 % similar Terpineol98-55-554 % similar Dihydroterpinyl acetate58985-18-553 % similar Grapefruit mercaptan71159-90-551 % similar Bisabolol23089-26-142 % similar Bisabolol515-69-542 % similar tert-Butyl acetate540-88-535 % similar 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Geranyl acetate105-87-3 Linalyl acetate115-95-7 Isobornyl acetate125-12-2 Neryl acetate141-12-8 3,7-Dimethylocta-2,6-dienyl acetate16409-44-2 (+)-Borneol acetate20347-65-3 Allyl cyclohexanepropionate2705-87-5 1-Ethylcyclohexyl methacrylate274248-09-8

Elsewhere

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